1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea

C15H20N2O3 — CID 111444232

IUPAC1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCCc1cc2ccccc2o1
InChIInChI=1S/C15H20N2O3/c1-11(18)6-8-16-15(19)17-9-7-13-10-12-4-2-3-5-14(12)20-13/h2-5,10-11,18H,6-9H2,1H3,(H2,16,17,19)
InChIKeySFEGBNYCMFJRIQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.05
Rot. Bonds6

About 1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea

1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea (PubChem CID 111444232) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea
PubChem CID111444232
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCCc1cc2ccccc2o1
InChIInChI=1S/C15H20N2O3/c1-11(18)6-8-16-15(19)17-9-7-13-10-12-4-2-3-5-14(12)20-13/h2-5,10-11,18H,6-9H2,1H3,(H2,16,17,19)
InChIKeySFEGBNYCMFJRIQ-UHFFFAOYSA-N
XLogP2.05
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 166212107
N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide
CID 119799114
1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111444243
1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea
CID 111337415
N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 154758945
1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121020618
1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111770512
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
1-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109474643
4-(1-benzofuran-2-yl)butane-1,2-diol
CID 102166190
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474642

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea (CID 111444232) is 1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NCCc1cc2ccccc2o1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea?
The InChIKey is SFEGBNYCMFJRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)6-8-16-15(19)17-9-7-13-10-12-4-2-3-5-14(12)20-13/h2-5,10-11,18H,6-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea?
1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea has a molecular weight of 276.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111444232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).